[5-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C20H33NO5S/c1-14(2)21(19(22)12-20(5,6)7)13-16-9-10-17(25-8)18(11-16)26-27(23,24)15(3)4/h9-11,14-15H,12-13H2,1-8H3